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	hartrees
Energy at 0K	-231.805893
Energy at 298.15K	-231.812151
HF Energy	-230.778755
Nuclear repulsion energy	203.179090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3209	3128
2	A_1g	1005	980
3	A_2g	1369	1335
4	A_2u	686	669
5	B_1u	3169	3090
6	B_1u	1011	985
7	B_2g	967	943
8	B_2g	675	658
9	B_2u	1328	1294
10	B_2u	1158	1129
11	E_1g	857	835
11	E_1g	857	835
12	E_1u	3199	3118
12	E_1u	3198	3118
13	E_1u	1507	1469
13	E_1u	1507	1469
14	E_1u	1054	1028
14	E_1u	1054	1027
15	E_2g	3181	3101
15	E_2g	3181	3101
16	E_2g	1637	1596
16	E_2g	1637	1596
17	E_2g	1191	1161
17	E_2g	1189	1159
18	E_2g	607	592
18	E_2g	607	592
19	E_2u	959	935
19	E_2u	959	935
20	E_2u	401	391
20	E_2u	401	391

Atom	x (Å)	y (Å)
C1	0.000	1.398
C2	1.210	0.699
C3	1.210	-0.699
C4	0.000	-1.398
C5	-1.210	-0.699
C6	-1.210	0.699
H7	0.000	2.481
H8	2.148	1.240
H9	2.148	-1.240
H10	0.000	-2.481
H11	-2.148	-1.240
H12	-2.148	1.240

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3975	2.4206	2.7950	2.4206	1.3975	1.0832	2.1541	3.4020	3.8782	3.4020	2.1541
C2	1.3975		1.3975	2.4206	2.7950	2.4206	2.1541	1.0832	2.1541	3.4020	3.8782	3.4020
C3	2.4206	1.3975		1.3975	2.4206	2.7950	3.4020	2.1541	1.0832	2.1541	3.4020	3.8782
C4	2.7950	2.4206	1.3975		1.3975	2.4206	3.8782	3.4020	2.1541	1.0832	2.1541	3.4020
C5	2.4206	2.7950	2.4206	1.3975		1.3975	3.4020	3.8782	3.4020	2.1541	1.0832	2.1541
C6	1.3975	2.4206	2.7950	2.4206	1.3975		2.1541	3.4020	3.8782	3.4020	2.1541	1.0832
H7	1.0832	2.1541	3.4020	3.8782	3.4020	2.1541		2.4807	4.2967	4.9614	4.2967	2.4807
H8	2.1541	1.0832	2.1541	3.4020	3.8782	3.4020	2.4807		2.4807	4.2967	4.9614	4.2967
H9	3.4020	2.1541	1.0832	2.1541	3.4020	3.8782	4.2967	2.4807		2.4807	4.2967	4.9614
H10	3.8782	3.4020	2.1541	1.0832	2.1541	3.4020	4.9614	4.2967	2.4807		2.4807	4.2967
H11	3.4020	3.8782	3.4020	2.1541	1.0832	2.1541	4.2967	4.9614	4.2967	2.4807		2.4807
H12	2.1541	3.4020	3.8782	3.4020	2.1541	1.0832	2.4807	4.2967	4.9614	4.2967	2.4807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.000	C1	C2	H8	120.000
C1	C6	C5	120.000	C1	C6	H12	120.000
C2	C1	C6	120.000	C2	C1	H7	120.000
C2	C3	C4	120.000	C2	C3	H9	120.000
C3	C2	H8	120.000	C3	C4	C5	120.000
C3	C4	H10	120.000	C4	C3	H9	120.000
C4	C5	C6	120.000	C4	C5	H11	120.000
C5	C4	H10	120.000	C5	C6	H12	120.000
C6	C1	H7	120.000	C6	C5	H11	120.000

All results from a given calculation for C₆H₆ (Benzene)

using model chemistry: CCSD(T)/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C6H6 (Benzene)

using model chemistry: CCSD(T)/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₆ (Benzene)